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CAS 262450-64-6 (3-broMo-5-Methoxyphenyl)Methanol molecular structure lightbox
CAS RN: 262450-64-6

(3-broMo-5-Methoxyphenyl)Methanol

  • Product code: SSC-123544
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 262450-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

262450-64-6 / (3-bromo-5-methoxyphenyl)methanol

Standard CAS: 262450-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
262450-64-6
Multi CAS
No
Molecular Formula
C8H9BrO2
Molecular Weight
217.060000
Exact Mass
215.978590
SMILES
COC1=CC(=CC(=C1)CO)Br
InChI
InChI=1S/C8H9BrO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3
InChIKey
PPWBDINRNWYVFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.62
TPSA
29.46

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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